AMBER Archive (2009)

Subject: Re: [AMBER] Acetylate and Amidate

From: Alison Saunders (alison.m.saunders_at_gmail.com)
Date: Wed Jul 08 2009 - 17:47:59 CDT

What command in xleap do I use to add the ACE and the NH2 to the beginning
and end of my pdb file protein?

On Wed, Jul 8, 2009 at 3:22 PM, Carlos Simmerling <
carlos.simmerling_at_gmail.com> wrote:

> add ACE and NH2 to your sequence
>
>
> On Wed, Jul 8, 2009 at 6:19 PM, Alison Saunders <
> alison.m.saunders_at_gmail.com
> > wrote:
>
> > I need to acetylate (Ac) and amidate (NH_2) the N- and C- termini of a
> > protein fragment, to emulate the fragment as a native protein. Does
> anyone
> > know how this can be done using the existing residues on xleap?
> >
> > Thanks,
> > Alison Saunders
> > UC Davis Physics REU Program Member
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> >
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